Re: Dihedral parameters for side-chains?

From: Igor Petrik (petrikigor_at_gmail.com)
Date: Sat Apr 24 2010 - 22:41:06 CDT

Jun,

Ok, this is the one that I found... does that mean that I am not supposed to
parametrize that dihedral? Is it just supposed to be taken care of by 1-4s
in the CHARMM FF?

- Igor Petrik
University of Illinois, School of Chemical Sciences
Department of Chemistry
CLSL A325, Box 74-5
600 S Mathews
Urbana, IL 61801

On Sat, Apr 24, 2010 at 22:29, Jun Zhang <coolrainbow_at_yahoo.cn> wrote:

> Hi Igor :
>
> There is one line(2139) in the file:
>
> X CT1 CT2 X 0.2000 3 0.00 ! ALLOW ALI
> ! alkane update, adm jr., 3/2/92
>
> Do you think it is what you need?
>
>
> Jun Zhang
> Nankai University
> coolrainbow_at_yahoo.cn
>
>
>

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